SCHEMBL2842391

SCHEMBL2842391

CC(C)(C)c1c(C(C)(C)C)c(S(=O)(=O)[O-])c2ccccc2c1C(C)(C)C.[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 2/20 0.32
NR1I2 O75469 1/20 0.39
TTR P02766 1/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PSD A5PKW4 1/20 0.31
PKLR P30613 1/20 0.30
HSD11B1 P28845 1/20 0.30
HSD17B2 P37059 1/20 0.30
APP P05067 1/20 0.30
GLB1 P16278 1/20 0.30
CHAT P28329 1/20 0.30
ENPP2 Q13822 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29908011 1.00 NR1I2 (0.39) NR1I2THRBTTRMAPK1ALDH1A1
SCHEMBL5272789 0.80 CYP2D6 (0.35) TTRTSHRPSDHSD17B2POLB
SCHEMBL4878318 0.79 TSHR (0.38) TTRTSHRPSDHSD11B1HSD17B2
SCHEMBL28576715 0.79 CYP2D6 (0.34) TTRTSHRPSDHSD17B2POLB
SCHEMBL16553161 0.76 CYP2D6 (0.35) TTRTSHRPSDHSD17B2POLB
SCHEMBL29888654 0.76 CYP2D6 (0.35) TTRTSHRPSDHSD17B2POLB
SCHEMBL4594432 0.76 NR1I2 (0.54) NR1I2THRBALDH1A1CYP3A4HPGD
SCHEMBL28875258 0.75 CYP2D6 (0.34) TTRTSHRPSDHSD17B2POLB
SCHEMBL11288841 0.70 HSD17B2 (0.43) NR1I2THRBALDH1A1TSHRHSD17B10
SCHEMBL7783772 0.69 CYP2D6 (0.35) TTRTSHRPSDHSD17B2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024180990-A1 DISPLAY DEVICE, OPTICAL FILM, AND METHOD FOR MANUFACTURING OPTICAL FILM コニカミノルタ株式会社 2024-09-06 WO disclosed
US-9223070-B2 Optical film, polarizing plate equipped with the optical film, process for manufacture of the polarizing plate, and liquid crystal display device Konica Minolta, Inc. (JP) 2015-12-29 US disclosed
US-20130293812-A1 OPTICAL FILM, POLARIZING PLATE EQUIPPED WITH THE OPTICAL FILM, PROCESS FOR MANUFACTURE OF THE POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE Konica Minolta, Inc. (JP) 2013-11-07 US disclosed
US-7796205-B2 Polymer film, cyclic polyolefin film, method for manufacturing the same, optical compensation film, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2010-09-14 US disclosed
US-20100216963-A1 CYCLOOLEFIN RESIN FILM AND PROCESS FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2010-08-26 US disclosed
US-20090302495-A1 SOLUTION CASTING METHOD AND SOLUTION CASTING APPARATUS FOR FILM MANUFACTURE FUJIFILM CORPORATION (JP) 2009-12-10 US disclosed
US-20090180059-A1 OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-07-16 US disclosed
US-20090135344-A1 POLYMER FILM, CYCLIC POLYOLEFIN FILM, METHOD FOR MANUFACTURING THE SAME, OPTICAL COMPENSATION FILM, POLARIZER AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-05-28 US disclosed
US-20090081387-A1 Method of Producing Cyclic Polyolefin Film, Cyclic Polyolefin Film Produced by the Production Method, Method of Preparing Liquid Dispersion of Fine Particles, Liquid Dispersion of Fine Particles and Method of Preparing Dope FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090040451-A1 CYCLIC OLEFIN RESIN FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2009-02-12 US disclosed
US-20080107828-A1 Optically-Compensatory Sheet, Polarizing Plate And Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed
EP-1333055-B1 SOLUTION OF CELLULOSE ACYLATE IN MIXED SOLVENT COMPRISING KETONE AND ESTER FUJIFILM CORP (JP) 2008-03-12 EP disclosed
WO-2007064029-A1 OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-06-07 WO disclosed
US-7226556-B2 Method for producing of cellulose ester film FUJIFILM HOLDINGS CORPORATION (JP) 2007-06-05 US disclosed
WO-2007032537-A1 METHOD OF PRODUCING CYCLIC POLYOLEFIN FILM, CYCLIC POLYOLEFIN FILM PRODUCED BY THE PRODUCTION METHOD, METHOD OF PREPARING LIQUID DISPERSION OF FINE PARTICLES, LIQUID DISPERSION OF FINE PARTICLES AND METHOD OF PREPARING DOPE FUJIFILM CORPORATION (JP) 2007-03-22 WO disclosed
WO-2007024028-A1 POLYMER FILM, CYCLIC POLYOLEFIN FILM, METHOD FOR MANUFACTURING THE SAME, OPTICAL COMPENSATION FILM, POLARIZER AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-03-01 WO disclosed
US-6914139-B2 Solution of cellulose acylate dissolved in mixed solvent of ketone and ester FUJI PHOTO FILM CO., LTD. (JP) 2005-07-05 US disclosed
EP-1333055-A1 SOLUTION OF CELLULOSE ACYLATE IN MIXED SOLVENT COMPRISING KETONE AND ESTER Fuji Photo Film Co., Ltd. (JP) 2003-08-06 EP disclosed